LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# 3d Lennard-Jones melt

units		lj
atom_style	atomic
processors      * 1 1

variable	factor index 1.0

lattice		fcc 0.8442
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
region		box block 0 10 0 10 0 10
create_box	3 box
Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
  2 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 4000 atoms
  Time spent = 0.000517368 secs
mass		* 1.0

region		long block 3 6 0 10 0 10
set             region long type 2
  1400 settings made for type

velocity	all create 1.0 87287

pair_style	lj/cut 2.5
pair_coeff	* * 1.0 1.0 2.5
pair_coeff      * 2 1.0 1.0 5.0

neighbor	0.3 bin
neigh_modify	every 2 delay 4 check yes

group		fast type 1
2600 atoms in group fast
group		slow type 2
1400 atoms in group slow
balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
Neighbor list info ...
  update every 2 steps, delay 4 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
  rebalancing time: 0.000522375 seconds
  iteration count = 1
  time weight factor: 1
  initial/final max load/proc = 2000 2000
  initial/final imbalance factor = 1 1
  x cuts: 0 0.5 1
  y cuts: 0 1
  z cuts: 0 1

fix		1 all nve

#dump		id all atom 50 dump.melt

#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
#dump_modify	2 pad 3

#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
#dump_modify	3 pad 3

thermo		50
run		250
Per MPI rank memory allocation (min/avg/max) = 4.297 | 4.488 | 4.678 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            1   -6.9453205            0   -5.4456955   -5.6812358 
      50   0.49578514   -6.1929216            0   -5.4494298   -1.6668039 
     100   0.53275389   -6.2475932            0   -5.4486622   -1.9063885 
     150   0.53316457   -6.2483202            0   -5.4487733   -1.9476162 
     200     0.536665   -6.2530113            0    -5.448215    -1.933468 
     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847 
Loop time of 1.96356 on 2 procs for 250 steps with 4000 atoms

Performance: 55002.186 tau/day, 127.320 timesteps/s
99.4% CPU use with 2 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.0024     | 1.243      | 1.4835     |  21.6 | 63.30
Neigh   | 0.3963     | 0.41601    | 0.43572    |   3.1 | 21.19
Comm    | 0.032948   | 0.29324    | 0.55353    |  48.1 | 14.93
Output  | 0.00013924 | 0.00014722 | 0.00015521 |   0.0 |  0.01
Modify  | 0.0072696  | 0.0073524  | 0.0074351  |   0.1 |  0.37
Other   |            | 0.003842   |            |       |  0.20

Nlocal:    2000 ave 2051 max 1949 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:    10443 ave 10506 max 10380 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:    298332 ave 363449 max 233215 min
Histogram: 1 0 0 0 0 0 0 0 0 1

Total # of neighbors = 596664
Ave neighs/atom = 149.166
Neighbor list builds = 24
Dangerous builds = 0
balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
  rebalancing time: 0.000424623 seconds
  iteration count = 3
  time weight factor: 1
  initial/final max load/proc = 1.91926 1.6972
  initial/final imbalance factor = 1.15689 1.02304
  x cuts: 0 0.4375 1
  y cuts: 0 1
  z cuts: 0 1
run		250
Per MPI rank memory allocation (min/avg/max) = 4.681 | 4.683 | 4.685 Mbytes
Step Temp E_pair E_mol TotEng Press 
     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847 
     300   0.55111476   -6.2727642            0   -5.4462987   -2.0384873 
     350   0.55211503    -6.274054            0   -5.4460885   -2.0116976 
     400   0.54638463   -6.2661715            0   -5.4467995    -1.992248 
     450   0.55885307   -6.2852263            0   -5.4471563   -2.0669747 
     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802 
Loop time of 1.84751 on 2 procs for 250 steps with 4000 atoms

Performance: 58457.127 tau/day, 135.317 timesteps/s
99.5% CPU use with 2 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.1214     | 1.2291     | 1.3368     |   9.7 | 66.53
Neigh   | 0.37418    | 0.41926    | 0.46434    |   7.0 | 22.69
Comm    | 0.033842   | 0.18738    | 0.34091    |  35.5 | 10.14
Output  | 0.00016665 | 0.00018752 | 0.00020838 |   0.0 |  0.01
Modify  | 0.0062993  | 0.0072798  | 0.0082603  |   1.1 |  0.39
Other   |            | 0.00428    |            |       |  0.23

Nlocal:    2000 ave 2284 max 1716 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:    10450 ave 10742 max 10158 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:    298063 ave 326003 max 270123 min
Histogram: 1 0 0 0 0 0 0 0 0 1

Total # of neighbors = 596126
Ave neighs/atom = 149.031
Neighbor list builds = 25
Dangerous builds = 0
balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt
  rebalancing time: 0.000502825 seconds
  iteration count = 3
  time weight factor: 1
  initial/final max load/proc = 1.80118 1.79434
  initial/final imbalance factor = 1.0927 1.08854
  x cuts: 0 0.507812 1
  y cuts: 0 1
  z cuts: 0 1
run 		250
Per MPI rank memory allocation (min/avg/max) = 4.681 | 4.683 | 4.686 Mbytes
Step Temp E_pair E_mol TotEng Press 
     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802 
     550   0.54137926   -6.2592773            0   -5.4474115   -1.9770236 
     600   0.54022886   -6.2573307            0     -5.44719   -1.9619637 
     650   0.54709009   -6.2678862            0   -5.4474562   -1.9958342 
     700   0.54590044   -6.2656903            0   -5.4470444   -1.9957108 
     750   0.55098488   -6.2724831            0   -5.4462124   -2.0287523 
Loop time of 2.03694 on 2 procs for 250 steps with 4000 atoms

Performance: 53020.655 tau/day, 122.733 timesteps/s
99.3% CPU use with 2 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.92132    | 1.2301     | 1.5389     |  27.8 | 60.39
Neigh   | 0.3924     | 0.42313    | 0.45386    |   4.7 | 20.77
Comm    | 0.032816   | 0.37246    | 0.71211    |  55.7 | 18.29
Output  | 0.00013733 | 0.00014532 | 0.0001533  |   0.0 |  0.01
Modify  | 0.0069692  | 0.0072372  | 0.0075052  |   0.3 |  0.36
Other   |            | 0.003856   |            |       |  0.19

Nlocal:    2000 ave 2097 max 1903 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:    10439.5 ave 10561 max 10318 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:    299628 ave 378859 max 220397 min
Histogram: 1 0 0 0 0 0 0 0 0 1

Total # of neighbors = 599256
Ave neighs/atom = 149.814
Neighbor list builds = 25
Dangerous builds = 0
Total wall time: 0:00:05
